4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide

C24H31N3O7 — CID 55902194

IUPAC4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
SMILESCCC(NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C24H31N3O7/c1-6-17(16-9-7-8-10-18(16)33-14-22(29)27(2)3)26-24(30)15-11-19(31-4)23(20(12-15)32-5)34-13-21(25)28/h7-12,17H,6,13-14H2,1-5H3,(H2,25,28)(H,26,30)
InChIKeyBMGIAKQDPHZLAX-UHFFFAOYSA-N
MW473.53 g/mol
LogP1.92
Rot. Bonds12

About 4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide (PubChem CID 55902194) has the molecular formula C24H31N3O7 and a molecular weight of 473.53 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
PubChem CID55902194
Molecular FormulaC24H31N3O7
Molecular Weight473.53 g/mol
Exact Mass473.22
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
SMILESCCC(NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C24H31N3O7/c1-6-17(16-9-7-8-10-18(16)33-14-22(29)27(2)3)26-24(30)15-11-19(31-4)23(20(12-15)32-5)34-13-21(25)28/h7-12,17H,6,13-14H2,1-5H3,(H2,25,28)(H,26,30)
InChIKeyBMGIAKQDPHZLAX-UHFFFAOYSA-N
XLogP1.92
TPSA129.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
CID 55901936
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55902697
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]prop-2-enamide
CID 55992224
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 55901041
2-(2,4-dimethoxyphenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]acetamide
CID 55901043
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579899
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55901687
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-(tetrazol-1-yl)benzamide
CID 55902695
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide
CID 55902579
6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
CID 119180806
4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide
CID 55909030
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide (CID 55902194) is 4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide is CCC(NC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide?
The InChIKey is BMGIAKQDPHZLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O7/c1-6-17(16-9-7-8-10-18(16)33-14-22(29)27(2)3)26-24(30)15-11-19(31-4)23(20(12-15)32-5)34-13-21(25)28/h7-12,17H,6,13-14H2,1-5H3,(H2,25,28)(H,26,30).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide has a molecular weight of 473.53 g/mol, XLogP of 1.92, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 55902194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).